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224434-83-7 | 6-Bromo-1H-indole-3-carbonitrile
CAS No: 224434-83-7 Catalog No: AG0037J3 MDL No:MFCD10700148
Product Description
Catalog Number:
AG0037J3
Chemical Name:
6-Bromo-1H-indole-3-carbonitrile
CAS Number:
224434-83-7
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
MDL Number:
MFCD10700148
IUPAC Name:
6-bromo-1H-indole-3-carbonitrile
InChI:
InChI=1S/C9H5BrN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H
InChI Key:
PUBXTAVHPDZLBK-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1ccc(c2)Br
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.057g/mol
Monoisotopic Mass:
219.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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